Geometry & MOs

Info

ID:	82197
PubChem CID:	49855747
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	5.77
Dipole, Da:	3.21
IP(EA), eV:	-9.81(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8E)-4,4-dimethyldeca-1,8-dien-6-yn-5-yl] methyl carbonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](/C=C/CCCC#N)O

DOS

IR

Vibrations